trimethyl-[4-(2-methylpropoxy)-4-oxidanylidene-2-[(2R)-2-sulfanylbutanoyl]oxy-butyl]azanium chloride

Systemtic Name: trimethyl-[4-(2-methylpropoxy)-4-oxidanylidene-2-[(2R)-2-sulfanylbutanoyl]oxy-butyl]azanium chloride Openeye Name: [4-isobutoxy-4-oxo-2-[(2R)-2-sulfanylbutanoyl]oxy-butyl]-trimethyl-ammonium chloride CAS Name: [2-[(2R)-2-mercapto-1-oxobutoxy]-4-(2-methylpropoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: trimethyl-[4-(2-methylpropoxy)-4-oxo-2-[(2R)-2-sulfanylbutanoyl]oxybutyl]azanium chloride Traditional Name: [4-isobutoxy-4-keto-2-[(2R)-2-mercaptobutanoyl]oxy-butyl]-trimethyl-ammonium chloride Formula: C15H30ClNO4S MolecularWeight: 355.921

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(CC(=O)OCC(C)C)C[N+](C)(C)C)S.[Cl-]

Isomeric SMILES

CC[C@H](C(=O)OC(CC(=O)OCC(C)C)C[N+](C)(C)C)S.[Cl-]

InChI

InChI=1S/C15H29NO4S.ClH/c1-7-13(21)15(18)20-12(9-16(4,5)6)8-14(17)19-10-11(2)3;/h11-13H,7-10H2,1-6H3;1H/t12?,13-;/m1./s1